6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol

C17H9Cl2F3OS — CID 14673680

IUPAC6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol
SMILESFC(F)(F)c1cc(Cl)c(Oc2ccc3cc(S)ccc3c2)c(Cl)c1
InChIInChI=1S/C17H9Cl2F3OS/c18-14-7-11(17(20,21)22)8-15(19)16(14)23-12-3-1-10-6-13(24)4-2-9(10)5-12/h1-8,24H
InChIKeyRAVLCCGFEFXBSM-UHFFFAOYSA-N
MW389.23 g/mol
LogP7.25
Rot. Bonds2

About 6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol

6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol (PubChem CID 14673680) has the molecular formula C17H9Cl2F3OS and a molecular weight of 389.23 g/mol. Its IUPAC name is 6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol.

Molecular Properties

Compound Name6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol
PubChem CID14673680
Molecular FormulaC17H9Cl2F3OS
Molecular Weight389.23 g/mol
Exact Mass387.97
IUPAC Name6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol
SMILESFC(F)(F)c1cc(Cl)c(Oc2ccc3cc(S)ccc3c2)c(Cl)c1
InChIInChI=1S/C17H9Cl2F3OS/c18-14-7-11(17(20,21)22)8-15(19)16(14)23-12-3-1-10-6-13(24)4-2-9(10)5-12/h1-8,24H
InChIKeyRAVLCCGFEFXBSM-UHFFFAOYSA-N
XLogP7.25
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.23
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol?
The IUPAC name of 6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol (CID 14673680) is 6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol.
What is the SMILES notation for 6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol?
The canonical SMILES for 6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol is FC(F)(F)c1cc(Cl)c(Oc2ccc3cc(S)ccc3c2)c(Cl)c1.
What is the InChIKey of 6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol?
The InChIKey is RAVLCCGFEFXBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3OS/c18-14-7-11(17(20,21)22)8-15(19)16(14)23-12-3-1-10-6-13(24)4-2-9(10)5-12/h1-8,24H.
What are the key properties of 6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol?
6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol has a molecular weight of 389.23 g/mol, XLogP of 7.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol is sourced from PubChem (CID 14673680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).